⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL22069315 | 0.93 | ALDH1A1 (0.32) | — | |
| SCHEMBL23656478 | 0.85 | CFD (0.32) | — | |
| SCHEMBL22112591 | 0.84 | — | — | |
| SCHEMBL20200022 | 0.84 | KMT2A (0.36) | — | |
| SCHEMBL30741640 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL22112422 | 0.80 | HSD17B10 (0.34) | — | |
| SCHEMBL22112106 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL22112589 | 0.79 | KDM4E (0.31) | — | |
| SCHEMBL22112578 | 0.78 | CACNA2D1 (0.38) | — | |
| SCHEMBL23656477 | 0.77 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3544964-B1 | HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING | Bayer Pharma AG (DE) | 2020-06-17 | — | — | EP | disclosed |
| WO-2018096082-A1 | HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-31 | — | — | WO | disclosed |